1-[(E)-3-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)prop-2-enoyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(E)-3-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)prop-2-enoyl]piperidine-2-carboxylic acid Openeye Name: 1-[(E)-3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)prop-2-enoyl]piperidine-2-carboxylic acid CAS Name: 1-[(E)-3-(5-chloro-1,3-dimethyl-4-pyrazolyl)-1-oxoprop-2-enyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]piperidine-2-carboxylic acid Traditional Name: 1-[(E)-3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)acryloyl]pipecolinic acid Formula: C14H18ClN3O3 MolecularWeight: 311.76402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)N2CCCCC2C(=O)O)Cl)C

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)N2CCCCC2C(=O)O)Cl)C

InChI

InChI=1S/C14H18ClN3O3/c1-9-10(13(15)17(2)16-9)6-7-12(19)18-8-4-3-5-11(18)14(20)21/h6-7,11H,3-5,8H2,1-2H3,(H,20,21)/b7-6+